dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate

C17H24O4 — CID 14611185

IUPACdimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC=C2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)OC
InChIInChI=1S/C17H24O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7-8,13H,6,9-10H2,1-5H3/t13-,17+/m1/s1
InChIKeyIPZPICAJXWNSDM-DYVFJYSZSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds2

About dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate

dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate (PubChem CID 14611185) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate
PubChem CID14611185
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namedimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC=C2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)OC
InChIInChI=1S/C17H24O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7-8,13H,6,9-10H2,1-5H3/t13-,17+/m1/s1
InChIKeyIPZPICAJXWNSDM-DYVFJYSZSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (1S,8aR)-5,5-dimethyl-6,7,8,8a-tetrahydro-1H-naphthalene-1,2-dicarboxylate
CID 14611182
tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate
CID 117071054
tetramethyl (6Z,13S,15R,16R,18R)-14,17-dioxotricyclo[10.3.3.01,12]octadec-6-ene-13,15,16,18-tetracarboxylate
CID 92975608
methyl (1S,6S)-1-ethoxybicyclo[4.2.2]deca-7,9-diene-7-carboxylate
CID 134993780
dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
methyl 5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-indeno[2,1-b]thiophene-2-carboxylate
CID 23266700
methyl 2-methyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 10857326
methyl (5S)-2,5,6,6-tetramethylcyclohex-2-ene-1-carboxylate
CID 11481009
trimethyl (1R,4aR,9R,9aS)-1,4a-dimethyl-3,4,9,9a-tetrahydro-2H-fluorene-1,7,9-tricarboxylate
CID 163092544
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
CID 45089915
tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540
methyl (3S)-4,4-dimethyl-2-oxopyrrolidine-3-carboxylate
CID 97292714

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate?
The IUPAC name of dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate (CID 14611185) is dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate is COC(=O)C1=CC=C2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate?
The InChIKey is IPZPICAJXWNSDM-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H24O4/c1-16(2)9-6-10-17(3)12(16)8-7-11(14(18)20-4)13(17)15(19)21-5/h7-8,13H,6,9-10H2,1-5H3/t13-,17+/m1/s1.
What are the key properties of dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate?
dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,8aR)-5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1,2-dicarboxylate is sourced from PubChem (CID 14611185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).